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ScientificNameLabel
Oxacyclotridec-10-en-2-one
PHCD compound ID : 1795
Chemical Names :
Oxacyclotridec-10-en-2-one
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (10Z)-1-oxacyclotridec-10-en-2-one
Smiles: O=C1CCCCCCC/C=C\CCO1
InChi : InChI=1S/C12H20O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h5,7H,1-4,6,8-11H2/b7-5-
InChi Key : InChIKey=FZKPUQQWULXMCD-ALCCZGGFSA-N
PubChem ID : 10878079
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.563777
Hydrogen bond donor count : 0 Electric dipole moment : 1.591
XLogP : 3.833 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.795000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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